SCHEMBL1081809

SCHEMBL1081809

C=Cc1ccc(COC(C)CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
IDO1 P14902 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.31
RCE1 Q9Y256 1/20 0.31
TP53 P04637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10033546 0.85 ADRB2 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8012380 0.84 IDO1 (0.40) CHRNB2CHRNA4IDO1HPGDHTT
SCHEMBL15624242 0.84 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5199701 0.83 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21156384 0.80 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19121409 0.79 TDP1 (0.38) ALDH1A1MEN1KMT2AIDO1TSHR
SCHEMBL9324006 0.79 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6310633 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5069327 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3957537 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875285-B1 n acrylic ester polymer including a drug having anovercoating of a different acrylic ester polymer having a glass transition temperature of 35-50 degrees C. to control elution of the drug; temperature change morphology of drug polymer to change and increase release; thrombolytic agents; restenosis ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-01-25 US claimed
WO-2018097665-A9 COATING COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 (KR) 2019-11-21 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed